Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | TOP1 | P11387 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL493936 | 0.77 | KIF11 (0.45) | KCNH2CNR1S1PR1S1PR3CHUK | |
| SCHEMBL30516088 | 0.76 | CNR1 (0.38) | MAP4K4KCNH2CNR1CA12CA9 | |
| SCHEMBL30516067 | 0.75 | HDAC4 (0.34) | MAP4K4KCNH2CNR1S1PR1S1PR3 | |
| SCHEMBL24799621 | 0.68 | IDH1 (0.40) | KCNH2CNR1S1PR1S1PR3NPC1 | |
| SCHEMBL19836179 | 0.67 | S1PR1 (0.41) | KCNH2CNR1S1PR1S1PR3MAPT | |
| SCHEMBL27951856 | 0.67 | TOP1 (0.48) | TOP1 | |
| SCHEMBL30516110 | 0.67 | PPARA (0.41) | KMO | |
| SCHEMBL29045046 | 0.67 | PPARA (0.41) | KMO | |
| SCHEMBL28601834 | 0.66 | PTGS2 (0.48) | S1PR1S1PR3ALDH1A1MAPTRAB9A | |
| SCHEMBL472486 | 0.66 | GSK3B (0.46) | KCNH2CA12CA9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116514790-A | Tri-aromatic heterocyclic piperazine small molecular organic compound targeting STAT3 and application thereof | 华东师范大学 | 2023-08-01 | — | — | CN | claimed |
| CN-116514790-A | Tri-aromatic heterocyclic piperazine small molecular organic compound targeting STAT3 and application thereof | 华东师范大学 | 2023-08-01 | — | — | CN | disclosed |